V016-9116 Screening compound: ethyl 4-(3-fluorophenyl)-1-methyl-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V016-9116 Screening compound: ethyl 4-(3-fluorophenyl)-1-methyl-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V016-9116 Screening compound: ethyl 4-(3-fluorophenyl)-1-methyl-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9116
ethyl 4-(3-fluorophenyl)-1-methyl-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V016-9116

Molecular Formula

C23H31FN4O4 (C23 H31 FN4 O4)

Compound Name

ethyl 4-(3-fluorophenyl)-1-methyl-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(3-fluorophenyl)-1-methyl-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCC(N1C(C)CN(CC(N(C)C(NC2c3cccc(F)c3)=O)=C2C(OCC)=O)CC1)=O

InChI

InChI=1S/C23H31FN4O4/c1-5-19(29)28-11-10-27(13-15(28)3)14-18-20(22(30)32-6-2)21(25-23(31)26(18)4)16-8-7-9-17(24)12-16/h7-9,12,15,21H,5-6,10-11,13-14H2,1-4H3,(H,25,31)

InChI Key

JAQHADQQUZOYAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19812605

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.107

Distribution Coefficient, logD

1.332

Water Solubility, LogSw

-2.94

Polar Surface Area

67.941

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with V016-9116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9116?
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What is the minimum amount of V016-9116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9116
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V016-9116 available by request